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JOURNAL OF COLLOID AND INTERFACE SCIENCE · 2023 · IF 9.9

Activating and optimizing the In-Plane interface of 1 T/2H MoS2 for efficient hydrogen evolution reaction

Kunjie Wang,Yan Jing,Shuang Gao,Xianrong Liu,Bingxin Liu,Yongcheng Li,Peng Zhang,Benhua Xu

Implanting the octahedral phase (1 T) into the hexagonal phase (2H) of the molybdenum disulfide (MoS 2 ) matrix is considered one of the effective methods to enhance hydrogen evolution reaction (HER) performances of MoS 2 . In this paper, hybrid 1 T/2H MoS 2 nanosheets array was successfully grown on conductive carbon cloth (1 T/2H MoS 2 /CC) via facile hydrothermal method and the 1 T phase content in 1 T/2H MoS 2 is regulated to gradually increase from 0 % to 80 %. 1 T/2H MoS 2 /CC with 75 % 1 T phase content exhibits optimal HER performances. The DFT calculation results show that S atoms in 1 T/2H MoS 2 interface exhibit the lowest hydrogen adsorption Gibbs free energies (ΔG H* ) compared with other sites. The improvement of HER performances are primarily attributed to activating the in-plane interface regions of the hybrid 1 T/2H MoS 2 nanosheets. Furthermore, the relationship between 1 T MoS 2 content in 1 T/2H MoS 2 and catalytic activity was simulated by a mathematical model, which shows that the catalytic activity presents a trend of increasing and then decreasing with the increase of 1 T phase content.

研究领域: 材料科学 · 理论计算 · 电催化
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JOURNAL OF ALLOYS AND COMPOUNDS · 2023 · IF 6.2

Microwave-assisted hydrothermal synthesis of Fe-doped 1T/2H-MoS2 few-layer nanosheets for efficient electromagnetic wave absorbing

Jingfan Zhang,Min Zhao,Yubo Zhao,Jingkun Wang,Yanxia Wu,Kexun Li,Ying Liu

Molybdenum disulfide (MoS 2 ) has been considered as an excellent candidate for microwave absorption applications due to its appropriate electrical conductivity and large area size. However, the absorption efficiency and absorption bandwidth of single-phase MoS 2 nanocomposites have been limited due to the weak electrical conductivity and magnetism . This paper proposes a feasible strategy to optimize the electromagnetic properties of MoS 2 absorbent by Fe-doping. The MoS 2 nanosheets with different Fe concentration have been synthesized a microwave-assisted hydrothermal process. Microstructure characterizations reveal that Fe dopants can facilitate the formation mixed 1T/2H phase MoS 2 nanosheets. Owing to the improved permittivity and permeability properties, impedance matching, as well as attenuation characteristics originated from the doping effect and partial phase transformation, the Fe-doped 1T/2H-MoS 2 nanosheets exhibit excellent electromagnetic wave absorbing properties. Its maximum reflection loss reaches − 60.03 dB at the matching thickness of 5.65 mm, and the effective absorption bandwidth below − 10 dB is 5.33 GHz. Such novel doping strategy provides a new insight for design and controlling the magneto-dielectric properties of MoS 2 nanostructures .

研究领域: 材料科学 · 电磁学
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JOURNAL OF ALLOYS AND COMPOUNDS · 2024 · IF 5.8

Amorphous mesoporous sulfur-rich 1T/2H-MoS2 nanospheres as high-capacity cathode materials for advanced magnesium ion batteries

Caicai Zhang,Ao Xu,Shuting Mao,Zhenping Li,Jiawen Yan,Fuyi Jiang,Yijing Wang,Kaiyuan Zhang,Yanli Zhou

Two-dimensional layered-structure MoS 2 has been explored as the promising cathode materials for magnesium ion batteries benefited by its wide layer distance and satisfactory capacity. However, such strong interaction between Mg 2+ and MoS 2 brings about the sluggish diffusion kinetics and irreversible electrochemical reaction, leading to a decreased specific capacity and poor rate capability. How to adopt its structure engineering and interface engineering to boost the Mg 2+ diffusion kinetics and enhance the electrochemical reversibility of MoS 2 is still a huge challenge. Herein, the amorphous sulfur-rich 1T/2H-MoS 2 mesoporous nanospheres (a-MoS 2+x , 0

CAS / MDL: 15060-55-6
研究领域: 材料科学 · 能源存储
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JOURNAL OF CATALYSIS · 2020 · IF 7.888

Improving electrocatalytic activity of 2H-MoS2 nanosheets obtained by liquid phase exfoliation: Covalent surface modification versus interlayer interaction

Xiaorong Gan,Huimin Zhao,Dangyuan Lei,Peifang Wang

Liquid phase exfoliation (LPE) is a promising method for synthesizing two-dimensional (2D) 2H-MoS 2 due to the balance obtained in the resulting yield and quality. Improvements in the electrocatalytic activity of 2D 2H-MoS 2 are typically attributed to an increased number of active sites at the plane edges. However, the conclusion need be carefully redefined in the case of LPE, because the covalent surface modification and solvent intercalation between layers can affect the electrocatalytic activity as well. In this study, bulk 2H-MoS 2 was exfoliated in three typical solvents, including N, N-dimethyl formamide (DMF), formamide, and 1-methyl-2-pyrrolidinone (NMP), to synthesize 2H-MoS 2 nanosheets . X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and Raman spectrum were used to confirm the possibility of surface and interface functionalization of the 2H-MoS 2 nanosheets. Further, the effects on the electrocatalytic activity of 2H-MoS 2 nanosheets were investigated mainly by density functional theory periodic calculations based on the analysis of electronic energy band structures. The results have demonstrated that 2H-MoS 2 nanosheets prepared in formamide exhibit smaller average size and thickness, and higher electrocatalytic activity. The surface functionalization of the 2H-MoS 2 nanosheets is indeed generated by Mo-N covalent bonds due to the presence of S vacancies. Such covalent functionalization leads to a slight decrease of energy band gap with 0.03 eV in a (3 × 3 × 1) 2H-MoS 2 supercell. In contrast, the interface functionalization formed by the intercalation of solvent molecules (e.g., formamide) between layers can cause a remarkable decrease in the band gap of (1 × 1 × 2) 2H-MoS 2 , the phase transition from semiconductor to semimetal , higher carrier mobility, and smaller effective mass ( m e  = 0.052  m 0 ).

研究领域: 材料科学 · 电化学
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CHEMICAL ENGINEERING JOURNAL · 2026 · IF 12.5

Unlocking efficient photo-rechargeable Zn-Ion batteries via 1 T/2H MoS2 structural synergy and coupled intercalation/plating mechanism

Dan Yang,Chen Xin,Wenzhan Zhang,Yitao Lou,Zhongchao Bai,Ting Xiong

In-situ 1 T/2H MoS 2 heterointerfaces synergistically combine 2H light-harvesting with 1 T conductivity for enhanced charge separation. • Optimized MoS 2 features expanded interlayer spacing and abundant active sites, accelerating Zn 2+ diffusion and redox kinetics. • The PRZIB delivers 340 mAh g −1 under illumination (vs. 237 mAh g −1 in dark) and achieves 1.2% photoconversion efficiency. • Photo-recharging couples Zn 2+ extraction with photoelectron-driven Zn deposition, while flexible devices demonstrate stable power output for LEDs. Photo-rechargeable Zn-ion batteries (PRZIBs) are constrained by photocathodes lacking efficient light harvesting, fast transport, and reversible Zn 2+ storage. Herein, we develop a temperature-controlled hydrothermal strategy to construct in-situ 1 T/2H MoS 2 photocathodes with tunable interlayer spacing and defect density. The optimized sample synthesized at 140 °C exhibits enlarged interlayer spacing, abundant active sites and an intimate 1 T/2H phase interface, which accelerate Zn 2+ diffusion and redox kinetics. Moreover, the semiconducting 2H domains absorb light while metallic 1 T domains extract photogenerated electrons, enabling synergistic charge separation. Consequently, the PRZIB achieves a photoconversion efficiency of 1.2% and a discharge capacity of 340 mAh g −1 under illumination, versus 237 mAh g −1 in the dark at 0.1 A g −1 . Mechanistically, quasi-in-situ XRD reveals that photo-recharging couples Zn 2+ extraction with photoelectron-driven Zn deposition, while discharge reverses via intercalation/stripping, as confirmed by reversible (002) reflections. Additionally, flexible devices demonstrate stable power output, driving a biomimetic bird and an LED. Overall, this work highlights heterophase junction engineering as a promising route for integrated photo-rechargeable systems.

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LANGMUIR · 2025 · IF 3.9

1T/2H-MoS2 Nanoclusters as Plasmon-Free Surface-Enhanced Raman Spectroscopy Substrates for Ultrasensitive Detection of Environmental Pollutants

Zhenyu Wen,Wenjie Zhu,Yongxue Chen,Huanhuan Sun,Lin Zhu,Yuling Yang,Yanping Song,Lei Chen,Jiajun Dong,Bingbing Liu

Surface-enhanced Raman spectroscopy (SERS) holds immense promise for molecular detection, yet the quest for high-performance, plasmon-free substrates remains active. This work pioneers the rational design and engineering of phase-tunable MoS2 nanoclusters─metallic (1T), semiconductor (2H), and, critically, hybrid metal/semiconductor (1T/2H) phases as a novel class of SERS platforms. We demonstrate this exceptional capability for ultrasensitive detection of environmentally hazardous dyes (e.g., rhodamine B, crystal violet, and methylene blue). Remarkably, the optimized 1T/2H-MoS2 substrate achieves an enhancement factor of 1.02 × 109, which ranks among the higher values for SERS substrates derived from semiconductors. Crucially, time-resolved transient photoluminescence decay spectroscopy reveals a dramatic 52% decrease in average exciton lifetime (from 3.88 to 1.86 ns) for RhB adsorbed on 1T/2H-MoS2 substrates. This profound decrease provides direct evidence for highly efficient interfacial charge transfer, predominantly driven by the built-in electric field unique to the engineered phase junction. Furthermore, by leveraging the distinct Raman signatures enabled by this heterophase substrate, we achieve the multiplex detection of all five environmental nucleobases (adenine, guanine, cytosine, thymine, and uracil) in both individual and mixed solutions. This work not only delivers fundamental mechanistic insights into charge transfer-mediated SERS but also provides a practical platform with broad implications for environmental monitoring, biomedical diagnostics, and analytical chemistry.

研究领域: 分析化学 · 环境科学 · 纳米技术 · 光谱学 · 材料科学 · 生物医学诊断
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ACS Catalysis · 2021 · IF 13.084

Activating Edge-Mo of 2H-MoS2 via Coordination with Pyridinic N–C for pH-Universal Hydrogen Evolution Electrocatalysis

Jiayi Qin,Cong Xi,Rui Zhang,Tao Liu,Peichao Zou,Deyao Wu,Qianjin Guo,Jing Mao,Huolin Xin,Jing Yang

It is highly desirable to develop all-pH-compatible hydrogen evolution reaction (HER) electrocatalysts that can be used universally in a variety of different electrolyzers and operated in different pH conditions, i.e., acid, alkaline, microbial, chlor-alkali, etc. So far, two-dimensional layered MoS2 and Mo-based carbon materials have been regarded as promising pH-universal HER electrocatalysts. 2H-MoS2 as a naturally occurring and thermodynamically favorable phase, yet still suffers from poor HER activity in neutral and alkaline electrolytes. Herein, a hybrid electrocatalyst, i.e., 2H-MoS2/N-doped mesoporous graphene, rich in interfacial Mo–pyridinic N coordination is fabricated. The optimized hybrid catalyst delivers long-term durability and outstanding HER activity with overpotentials of 110, 145, and 142 mV at 10 mA cm–2 in acidic, alkaline, and phosphate buffered solutions (PBS) media, respectively, outperforming most of the previously reported MoS2-based catalysts. Theoretical and experimental results demonstrate that the interfacial pyridinic N has a higher tendency to bond with Mo atoms than pyrrolic and graphitic N, and the edge-Mo coordinated with pyridinic N could serve as HER active sites. DFT calculations further reveal that Mo–pyridinic N coordination modifies the charge density of edge-Mo, in turn optimizing the hydrogen absorption energy and facilitating water dissociation, and thereby significantly promoting the intrinsic catalytic activity for the pH-universal HER process.

研究领域: 材料科学 · 电化学 · 催化科学
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INTERNATIONAL JOURNAL OF HYDROGEN ENERGY · 2024 · IF 8.1

Synergistic enhancement of hydrogen evolution reaction by one-step pyrolysis synthesis of 1T-2H MoS2 loaded nitrogen-doped carbon

Jiabo Wang,Zhentao Liu,Wenxin Wang,Li Chen

The increasing demand for clean and renewable energy underscores the importance of hydrogen energy, with electrocatalytic water splitting being an efficient method for green hydrogen production. Platinum, while an excellent catalyst for hydrogen evolution reactions (HER), is hindered by high cost and scarcity. This study explores non-precious alternatives, focusing on MoS 2 due to its “platinum-like behavior.” The 1T-2H MoS 2 loaded on N-doped carbon (NC) catalysts (1T-2H MoS 2 @NC) were synthesized through a one-step pyrolysis of melamine and ammonium thiomolybdate. Comprehensive analysis revealed that the 2H phase formed at 700 °C, transitioning to a biphasic 1T-2H composition at higher temperatures. The catalyst synthesized at 800 °C with a 1:8 reactant ratio demonstrated exceptional HER performance, with an overpotential of 175 mV at 10 mA cm −2 and a Tafel slope of 92.37 mV dec −1 . This study highlights the potential of 1T-2H MoS 2 @NC as a cost-effective and efficient catalyst for sustainable hydrogen production.

CAS / MDL: 15060-55-6 108-78-1
研究领域: 材料科学 · 能源化学
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ACS Applied Materials & Interfaces · 2021 · IF 9.229

Activating the Basal Plane of 2H-MoS2 by Doping Phosphor for Enhancement in the Photocatalytic Degradation of Organic Contaminants

Yanei Xue,Penghui Shao,Yixing Yuan,Wenxin Shi,Fuyi Cui

The 2H phases of MoS2 (2H-MoS2) monolayers present a wealth of new opportunities in photocatalysis owing to their photoinduced catalyzing ability and excellent charge carrier mobility. However, the complete release of their catalytic activities is restricted by their inert basal planes. Although the inert base planes of 2H-MoS2 are known to be activated by atomic doping, the operational principle of the exotic atoms remains vague. In this study, the unutilized inert base sites of MoS2 were activated via an oxygen-aided P-substituted method (denoted as POMS). Molecular structural tests and analyses of POMS indicated that the inert MoS2 substrate is activated when the inerratic crystal phases transform to amorphous phases in the P-doping process. The fully activated inert base planes provide sufficient reaction sites for photo-oxidized water contaminants. The designed POMS presented superior activity in organic degradation and completely removed sulfamethoxazole within 20 min. Uncovering these operational principles provides a theoretical basis for designing effective catalysts.

研究领域: 材料科学 · 环境科学
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DESALINATION · 2022 · IF 11.211

1T/2H MoS2 nanoflowers embedded in porous PDMS sponge with high salt-resistance for efficient and durable solar desalination

Jing Jiang,Huiling Jiang,Ying Xu,Lunhong Ai

Solar water evaporation is emerging as one of the most cost-effective and sustainable technologies for efficient seawater desalination . However, salt crystallization during solar desalination severely limits light absorption and reduces evaporation efficiency. Balancing the desirable evaporation rate and the suppressed salt crystallization is critical for long-term solar desalination, but remains a major challenge. In this work, 1T/2H MoS 2 nanoflower embedded in a macroporous PDMS sponge (MoS 2 /PDMS) was fabricated and used as a novel solar evaporator for efficient and durable solar desalination. Thanks to the broadband absorption of MoS 2 and the thermal insulating PDMS sponge, the MoS 2 /PDMS sponge presents a high evaporation rate of 1.47 kg m −2  h −1 and an evaporation efficiency of 81.5 % in pure water under one sun irradiation (1 kW m −2 ). Importantly, the MoS 2 /PDMS sponge with macroporous structure and wet-state hydrophilic wettability achieves efficient and durable solar desalination in simulated seawater (3.5 wt% NaCl solution), effectively suppressing salt crystallization. This finding offers a new way to design robust evaporators with structural flexibility, efficient evaporation and durable desalting for solar desalination.

研究领域: 材料科学 · 环境科学
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APPLIED SURFACE SCIENCE · 2020 · IF 6.182

1T/2H MoS2 nanoflowers decorated amorphous Mo-CoSx skeleton: A ZIF-based composite electrocatalyst for the hydrogen evolution reaction

Chencheng Gao,Hongfeng Hua,Ming Du,Jinsong Liu,Xiaoyu Wu,Yong Pu,Xing'ao Li

Electronic regulation through component precise control at the atomic level of electrocatalysts has a fundamental influence on the efficiency of hydrogen evolution reaction (HER). Herein, we successfully demonstrate a ZIF-based charge transfer medium for improving the electrocatalytic activity of MoS 2 towards HER. Benefit for the enough porous structure, superior electron conductivity as well as the synergistic effect from the doped atoms, the hybrids phase (1T/2H) MoS 2 nanoflowers decorated amorphous Mo-CoS x skeleton exhibited the promotional electrocatalytic performance in efficiency and stability. Specifically, an extremely low overpotential of 73 mV at the current density of −10 mA cm −2 and an impressive Tafel slope of 39.2 mV dec −1 had been achieved from the nanocomposites in an acidic condition (0.5 M H 2 SO 4 ). The satisfactory activity improvement can be ascribed to the enhancement of electronic transmission rate as well as the synergistic effects between the doped Mo element and CoS x . This work might develop a new avenue to design highly efficient multicomponent electrocatalysts towards HER.

研究领域: 材料科学 · 电化学
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MOLECULES · 2026 ·Vol. 31 ·期 16 ·2878 · IF 5.1

Fabrication of a BC/1T-2H MoS2@TP/PPy Membrane for Photo-Fenton Reactions and Solar-Driven Water Evaporation

Bochen Jiang,Xiaojing Sui,Ziran Niu,Yanhua Lei,Jie Wang,Liu Hui,Bing Zhang,Jiangdong Cao,Yu Gu,Zhongzhou Cui

Solar-driven advanced oxidation processes and interfacial water evaporation represent promising strategies to simultaneously address water pollution and freshwater scarcity. However, conventional photo-Fenton catalysts are predominantly powder-based and suffer from difficult catalyst recovery, inefficient H2O2utilization, and limited practical applicability. Herein, a multifunctional bacterial-cellulose-based composite membrane (BC-MTP) was designed by immobilizing 1T-2H MoS2and a tea-polyphenol/polypyrrole (TP/PPy) copolymer through a blending–copolymerization strategy. The three-dimensional BC network anchors the catalytic components and supports their repeated use, while the BC-MTP membrane achieves 88.2% tetracycline removal using 20 μL H2O2, four times lower than the dosage used for the corresponding powder catalyst. Because dissolved Fe was not quantified by ICP-OES or ICP-MS, the present results are interpreted as evidence of improved H2O2utilization and component immobilization rather than quantitative proof of suppressed iron leaching. The incorporation of 1T-2H MoS2and TP/PPy also provides strong broadband light absorption and photothermal conversion, yielding a solar-driven evaporation rate of 1.34 kg m−2h−1and an energy efficiency of 80.1% under the tested laboratory conditions. This work demonstrates a membrane platform integrating photo-Fenton degradation and solar-driven water evaporation for water-purification applications.

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